| Yazarlar (2) |
Doç. Dr. Murat BEYTUR
Kafkas Üniversitesi, Türkiye |
Prof. Dr. Haydar YÜKSEK
Kafkas Üniversitesi, Türkiye |
| Özet |
| In this study, 3-methyl-4-[4-methoxy-3-(p-toluenesulfonyloxy)-benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-one was synthesized according to literature. Experimental data were obtained from the literature. The synthesized title compound was optimized by using B3LYP/6-311G(d,p) basis set.1H-NMR and13C-NMR spectral data values were calculated according to the method of gauge including atomic orbital (GIAO) and continuous set of gauge transformations (CSGT) methods using the program package Gaussian G09W Software. Experimental and theoretical values were inserted into the graphic according to equitation of δexp=a+b. δ calc. The standard error values were found via SigmaPlot program with regression coefficient of a and b constants. Also, the calculated IR data of compound were calculated in gas phase by using of 6-311G(d,p) basis set of B3LYP method and are multiplied with appropriate adjustment factors. Theoretical infrared spectrums are formed from the data obtained according to B3LYP method. In the identification of calculated IR data was used the veda4f program. The calculated and experimental results were exhibited a very good agreement. |
| Anahtar Kelimeler |
| 1,2,4-Triazol-5-one | B3LYP | CSGT | Experimental | GIAO | Theoretical |
| Bildiri Türü | Tebliğ/Bildiri |
| Bildiri Alt Türü | Tam Metin Olarak Yayımlanan Tebliğ (Uluslararası Kongre/Sempozyum) |
| Bildiri Niteliği | Alanında Hakemli Uluslararası Kongre/Sempozyum |
| Bildiri Dili | İngilizce |
| Kongre Adı | International Conference on Technology, Engineering and Science |
| Kongre Tarihi | 26-10-2019 / 29-10-2019 |
| Basıldığı Ülke | Türkiye |
| Basıldığı Şehir | Antalya |
